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(3R)-3-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoic acid methyl ester
SpectraBase Compound ID Hmrhf2Ktwjg
InChI InChI=1S/C24H34O3/c1-15(13-22(26)27-4)19-7-8-20-18-6-5-16-14-17(25)9-11-23(16,2)21(18)10-12-24(19,20)3/h5-6,14-15,18-21H,7-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey XFFCGOLFHKMHSG-IHMUCKAYSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dh6rUJPqRN
Name (3R)-3-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoic acid methyl ester
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Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-15(13-22(26)27-4)19-7-8-20-18-6-5-16-14-17(25)9-11-23(16,2)21(18)10-12-24(19,20)3/h5-6,14-15,18-21H,7-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey XFFCGOLFHKMHSG-IHMUCKAYSA-N
Molecular Weight 370.533 g/mol
SMILES [C@@]12([C@]([C@@]3(C=CC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-01ya-4913000000-02063252db25a6808f38
Source of Spectrum H-79-987-5
Synonyms (3R)-3-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyric acid methyl ester Methyl (3R)-3-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoate Methyl (3R)-3-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoate
Wiley ID 1354655